1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one

C22H26FN3O2 — CID 131687350

IUPAC1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one
SMILESCCOC1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H26FN3O2/c1-2-28-20-12-22(19-11-17(23)4-5-18(19)20)7-9-26(10-8-22)21(27)6-3-16-13-24-15-25-14-16/h4-5,11,13-15,20H,2-3,6-10,12H2,1H3
InChIKeySAXLGKZYNQBKKR-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.59
Rot. Bonds5

About 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one

1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one (PubChem CID 131687350) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one
PubChem CID131687350
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one
SMILESCCOC1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H26FN3O2/c1-2-28-20-12-22(19-11-17(23)4-5-18(19)20)7-9-26(10-8-22)21(27)6-3-16-13-24-15-25-14-16/h4-5,11,13-15,20H,2-3,6-10,12H2,1H3
InChIKeySAXLGKZYNQBKKR-UHFFFAOYSA-N
XLogP3.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one with MolForge

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Related Compounds

1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 131651775
[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 97452679
(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 131658832
3-(2,4-difluorophenyl)-1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 133123141
1-[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131681938
1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 136539354
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
3-methyl-1-(3-pyrimidin-5-ylpropanoyl)azetidine-3-carboxylic acid
CID 167921042
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 70772789
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one (CID 131687350) is 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one is CCOC1CC2(CCN(C(=O)CCc3cncnc3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one?
The InChIKey is SAXLGKZYNQBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-2-28-20-12-22(19-11-17(23)4-5-18(19)20)7-9-26(10-8-22)21(27)6-3-16-13-24-15-25-14-16/h4-5,11,13-15,20H,2-3,6-10,12H2,1H3.
What are the key properties of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one?
1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one has a molecular weight of 383.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 131687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).